2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene

C18H19ClO2 — CID 106893752

IUPAC2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(OC)c(C(Cl)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19ClO2/c1-20-15-7-8-17(21-2)16(11-15)18(19)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18H,9-10H2,1-2H3
InChIKeyPRMZSXSHOWLGFY-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.40
Rot. Bonds4

About 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene

2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 106893752) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID106893752
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(OC)c(C(Cl)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19ClO2/c1-20-15-7-8-17(21-2)16(11-15)18(19)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18H,9-10H2,1-2H3
InChIKeyPRMZSXSHOWLGFY-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893940
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 119164773
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethoxyphenyl)methanamine
CID 43197229
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
CID 63429282
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892723
2-[chloro-(2,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63429581
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene (CID 106893752) is 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene is COc1ccc(OC)c(C(Cl)C2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is PRMZSXSHOWLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-20-15-7-8-17(21-2)16(11-15)18(19)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18H,9-10H2,1-2H3.
What are the key properties of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene?
2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 302.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 106893752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).